File name: Pandora101s1_Izana_20231018_L2Fit_fout2c12d20230620p1-8.txt File generation date: 20231021T035208.8Z Data description: Level 2 spectral fitting results file Data file version: fout2c12p1-8 Local principal investigator: Alberto Redondas Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 101 Spectrometer number: 1 Processing software version used: BlickP v1.8.49 Instrument operation file used: Pandora101_OF_v3d20220624.txt Instrument calibration file used: Pandora101s1_CF_v12d20230620.txt Level 1 file used: Pandora101s1_Izana_20231018_L1_smca1c12d20230620p1-8.txt Full location name: Izana Atmospheric Research Center Short location name: Izana Country of location: Spain Location latitude [deg]: 28.3090 Location longitude [deg]: -16.4994 Location altitude [m]: 2360 Local noon date: 20231018 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are latency correction, matrix method stray light correction (replaced by simple method) Data caveats: OOB session based on clearance session 11 First and last pixel inside fitting window: 222 363 Nominal wavelengths inside fitting window [nm]: 305.1333 305.2742 305.4151 305.5559 305.6968 305.8376 305.9784 306.1192 306.2600 306.4008 306.5416 306.6823 306.8231 306.9638 307.1045 307.2452 307.3859 307.5266 307.6673 307.8080 307.9486 308.0893 308.2299 308.3706 308.5112 308.6518 308.7924 308.9329 309.0735 309.2141 309.3546 309.4951 309.6357 309.7762 309.9167 310.0572 310.1976 310.3381 310.4786 310.6190 310.7594 310.8998 311.0403 311.1807 311.3210 311.4614 311.6018 311.7421 311.8825 312.0228 312.1631 312.3034 312.4437 312.5840 312.7243 312.8645 313.0048 313.1450 313.2852 313.4254 313.5656 313.7058 313.8460 313.9862 314.1263 314.2665 314.4066 314.5467 314.6869 314.8270 314.9670 315.1071 315.2472 315.3872 315.5273 315.6673 315.8073 315.9473 316.0873 316.2273 316.3673 316.5073 316.6472 316.7871 316.9271 317.0670 317.2069 317.3468 317.4867 317.6265 317.7664 317.9062 318.0461 318.1859 318.3257 318.4655 318.6053 318.7451 318.8848 319.0246 319.1643 319.3041 319.4438 319.5835 319.7232 319.8629 320.0025 320.1422 320.2819 320.4215 320.5611 320.7007 320.8403 320.9799 321.1195 321.2591 321.3986 321.5382 321.6777 321.8172 321.9568 322.0962 322.2357 322.3752 322.5147 322.6541 322.7936 322.9330 323.0724 323.2118 323.3512 323.4906 323.6300 323.7693 323.9087 324.0480 324.1873 324.3266 324.4659 324.6052 324.7445 324.8838 --------------------------------------------------------------------------------------- Column 1: Two letter code of measurement routine Column 2: UT date and time for center-time of measurement, yyyymmddThhmmssZ (ISO 8601) Column 3: Fractional days since 1-Jan-2000 midnight for center-time of measurement Column 4: Routine count (1 for the first routine of the day, 2 for the second, etc.) Column 5: Repetition count (1 for the first set in the routine, 2 for the second, etc.) Column 6: Total duration of measurement set in seconds Column 7: Data processing type index Column 8: Solar zenith angle for center-time of measurement in degree Column 9: Solar azimuth for center-time of measurement in degree, 0=north, increases clockwise Column 10: Lunar zenith angle for center-time of measurement in degree Column 11: Lunar azimuth for center-time of measurement in degree, 0=north, increases clockwise Column 12: Pointing zenith angle in degree, absolute or relative (see next column), 999=tracker not used Column 13: Zenith pointing mode: zenith angle is... 0=absolute, 1=relative to sun, 2=relative to moon Column 14: Pointing azimuth in degree, increases clockwise, absolute (0=north) or relative (see next column), 999=tracker not used Column 15: Azimuth pointing mode: like zenith angle mode but also fixed scattering angles relative to sun (3) or moon (4) Column 16: Fitting result index: 0=no error or warning, 1, 2=warning, >2=error Column 17: Number of function evaluations used, 0=linear fitting or fitting not successful or no fitting done Column 18: rms of unweighted fitting residuals, -9=fitting not successful Column 19: Normalized rms of fitting residuals weighted with independent uncertainty, -9=fitting not successful or no uncertainty used Column 20: Expected rms based on independent uncertainty, -9=fitting not successful or no uncertainty given Column 21: Expected normalized weighted rms based on independent uncertainty, -9=fitting not successful or no uncertainty given Column 22: Ozone slant column amount [moles per square meter], -9e99=fitting not successful Column 23: Independent uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 24: Structured uncertainty of ozone slant column amount [moles per square meter], -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 25: Common uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -6=no common uncertainty input was given, -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 26: rms-based uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no rms-based uncertainty could be retrieved, -9=spectral fitting not successful Column 27: Ozone effective temperature [K] Column 28: Independent uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 29: Structured uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -9=spectral fitting not successful Column 30: Common uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no common uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -6=no common uncertainty input was given, -9=spectral fitting not successful Column 31: Effective ozone fitting wavelength [nm], -9=fitting not successful Column 32: Diffuse correction applied before fitting at effective fitting wavelength for ozone [%], 0=no diffuse correction applied or fitting not requested, >0=measured diffuse correction, <0=(negative value of) calculated diffuse correction Column 33: Sulfur dioxide slant column amount [moles per square meter], -9e99=fitting not successful Column 34: Independent uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 35: Structured uncertainty of sulfur dioxide slant column amount [moles per square meter], -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 36: Common uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -6=no common uncertainty input was given, -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 37: rms-based uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no rms-based uncertainty could be retrieved, -9=spectral fitting not successful Column 38: Sulfur dioxide effective temperature [K] Column 39: Independent uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 40: Structured uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -9=spectral fitting not successful Column 41: Common uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no common uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -6=no common uncertainty input was given, -9=spectral fitting not successful Column 42: Effective sulfur dioxide fitting wavelength [nm], -9=fitting not successful Column 43: Diffuse correction applied before fitting at effective fitting wavelength for sulfur dioxide [%], 0=no diffuse correction applied or fitting not requested, >0=measured diffuse correction, <0=(negative value of) calculated diffuse correction Column 44: Molecular scattering air mass factor used for molecular scattering subtraction before the fitting Column 45: Estimated uncertainty of molecular scattering air mass factor, -9=molecular scattering was not subtracted before the fitting Column 46: Lower limit used for wavelength scaling [nm] Column 47: Upper limit used for wavelength scaling [nm] Column 48: Order of smoothing polynomial Column 49: Smoothing polynomial coefficient, order 0 Column 50: Independent uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 51: Structured uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 52: Common uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 53: rms-based uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 54: Smoothing polynomial coefficient, order 1 Column 55: Independent uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 56: Structured uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 57: Common uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 58: rms-based uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 59: Smoothing polynomial coefficient, order 2 Column 60: Independent uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 61: Structured uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 62: Common uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 63: rms-based uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 64: Smoothing polynomial coefficient, order 3 Column 65: Independent uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 66: Structured uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 67: Common uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 68: rms-based uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 69: Mean value of measured data inside fitting window [same units as measurements] Column 70: Wavelength change polynomial coefficient, order 0 Column 71: Independent uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 72: Structured uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 73: Common uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 74: rms-based uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 75: L1 based wavelength change coefficient, order 0, -9=no L1 wavelength change determination Column 76: L1 based wavelength change coefficient, order 1, -9=no L1 wavelength change determination Column 77: L2Fit data quality flag: 0=assured high quality, 1=assured medium quality, 2=assured low quality, 10=not-assured high quality, 11=not-assured medium quality, 12=not-assured low quality Column 78: Sum over 2^i using those i, for which the corresponding L2Fit data quality parameter exceeds the DQ1 limit, 0=L1 data quality above 0, 1=Spectral fitting was not successful, 2=Wavelength shift too large, 3=Normalized rms of fitting residuals weighted with independent uncertainty too large Column 79: Sum over 2^i using those i, for which the corresponding L2Fit data quality parameter exceeds the DQ2 limit (same parameters as for DQ1) Column 80: L1 data quality flag: 0=assured high quality, 1=assured medium quality, 2=assured low quality, 10=not-assured high quality, 11=not-assured medium quality, 12=not-assured low quality Column 81: Sum over 2^i using those i, for which the corresponding L1 data quality parameter exceeds the DQ1 limit, 0=Saturated data, 1=Too few dark counts measurements, 2=No temperature given or effective temperature too different from the reference temperature, 3=Dark count too high, 4=Unsuccessful dark background fitting, 5=The dark count differs significantly from the dark map for too many pixels, 6=Absolute value of estimated average residual stray light level too high, 7=Although attempted, no wavelength change could be retrieved, 8=Absolute value of retrieved wavelength shift too large, 9=Retrieved wavelength shift differs too much from the shift predicted by the effective temperature Column 82: Sum over 2^i using those i, for which the corresponding L1 data quality parameter exceeds the DQ2 limit (same parameters as for DQ1) Column 83: Atmospheric variability [%], 999=no atmospheric variability was determined Column 84: Wavelength effective temperature [°C], 999=no effective temperature given Column 85: Estimated average residual stray light level [%] (only valid for stray light correction methods 2 and higher) Column 86: Retrieved wavelength shift from L1 data [nm], -9=no wavelength change determination Column 87: Retrieved total wavelength shift [nm], -9=no wavelength change fitting Column 88: Number of bright count cycles Column 89: Number of dark count cycles Column 90: Effective position of filterwheel #1, 0=filterwheel not used, 1-9 are valid positions Column 91: Effective position of filterwheel #2, 0=filterwheel not used, 1-9 are valid positions Column 92: Sum over 2^i, 0=spectra were interpolated in time, 1=spectra are corrected for off-target signal Column 93: Integration time [ms] Column 94: Temperature at electronics board [°C], 999=no temperature signal Column 95: Spectrometer control temperature [°C], 999=no temperature signal Column 96: Auxiliary spectrometer temperature [°C], 999=no temperature signal Column 97: Temperature in head sensor [°C], 999=no temperature signal Column 98: Humidity in head sensor [%], -9=no humidity signal Column 99: Pressure in head sensor [hPa], -9=no pressure signal Columns 100-241: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 242-383: Normalized slant column residuals weighted with independent instrumental uncertainty for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting, 0=no independent instrumental uncertainty was given --------------------------------------------------------------------------------------- SS 20231018T071922.7Z 8691.305123 28 1 34.51 2 88.42 101.74 130.95 99.75 0.00 1 0.00 1 0 25 6.431e-01 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2.5333e-02 -6.0000e+00 2.9563e-01 1.9482e-06 3.7468e-05 7.2703e-04 2.4224e-04 -6.0000e+00 2.1053e-02 -2.2764e-02 0.0000e+00 12 9 9 12 5 1 3.78 21.06 3.61 -0.02276 -0.02248 72 19 1 5 0 640.900 21.06 15.00 14.49 17.94 0.0 953.70 -204987 -205991 900000 900000 -120198 900000 900000 -72831 900000 900000 900000 900000 900000 900000 -72432 900000 900000 900000 900000 900000 900000 900000 900000 900000 134859 900000 86665 900000 99637 900000 900000 900000 -90484 217535 1740 900000 900000 -3090 900000 900000 900000 92195 900000 77594 900000 -22932 270774 275350 900000 185775 900000 23026 44444 135965 53402 65976 79232 1171 45111 194782 -34978 36336 33414 21268 -12310 30576 50422 35715 37641 28235 54622 39070 18632 21960 -3492 -17233 732 -14713 10984 -10152 9193 9344 3253 3036 -254 12661 7294 -733 -10234 -17216 -16893 -5141 -5305 -8995 -128 375 7036 407 -222 -2150 -3121 1509 7753 -11316 -5622 -5591 -8182 -4028 -3661 -1726 4783 1885 3575 -469 -618 -6362 -660 1132 544 545 3269 4837 -421 2819 -564 2832 1543 2145 -1561 3408 -1137 1374 -551 -496 -556 -608 793 260 -903 362 245 -928 -6118 -6148 900000 900000 -3075 900000 900000 -1863 900000 900000 900000 900000 900000 900000 -1853 900000 900000 900000 900000 900000 900000 900000 900000 900000 3450 900000 2217 900000 2549 900000 900000 900000 -4629 5565 45 900000 900000 -86 900000 900000 900000 2358 900000 1985 900000 -1013 6926 7043 900000 4752 900000 1071 1860 3478 2484 2915 3446 105 2308 4983 -3490 1952 2137 1741 -1480 2425 3482 3198 3851 3611 5729 4797 2621 2640 -465 -2336 82 -2145 1489 -2077 1858 2199 899 893 -81 3692 2295 -248 -3639 -6121 -5618 -1499 -1642 -3336 -53 183 3797 271 -160 -1540 -2036 810 3550 -6397 -3207 -3347 -5379 -2834 -3025 -1673 5040 2238 4335 -590 -759 -8154 -821 1447 725 712 3871 5222 -461 2928 -591 2782 1559 2486 -2296 5650 -2239 2904 -1300 -1280 -1403 -1587 2054 674 -2522 919 559 -1959 SS 20231018T073747.0Z 8691.317905 37 1 52.53 2 84.48 103.98 127.17 101.34 0.00 1 0.00 1 0 17 7.505e-01 1.338e-02 5.204e-02 1.379e-03 9.394743e-01 7.713979e-04 9.617679e-03 -6.000000e+00 4.277289e-01 225.49 -2.00 3.19 -2.00 321.97 0.00e+00 7.142340e-03 4.363173e-04 3.714356e-03 -6.000000e+00 1.867156e-02 278.39 -2.00 20.00 -2.00 321.55 0.00e+00 9.167 0.008 302.00 328.00 3 9.5117e-03 2.9262e-03 8.4322e-02 -6.0000e+00 1.0593e+00 5.6595e-01 4.4921e-03 5.0112e-02 -6.0000e+00 1.1488e+00 -7.7488e-01 4.8930e-03 3.1532e-02 -6.0000e+00 6.8329e-01 3.1448e-01 2.2265e-03 1.4133e-02 -6.0000e+00 2.9668e-01 2.0218e-04 8.9425e-05 3.4705e-05 2.1106e-04 -6.0000e+00 2.0134e-02 -2.4097e-02 0.0000e+00 12 9 8 11 4 0 -1.66 21.06 0.42 -0.02410 -0.02343 1336 340 1 5 0 35.780 21.06 15.00 14.50 18.89 0.0 956.71 -248850 -204281 -223729 -211656 -245699 -211724 -222520 -226988 -224691 -242457 -214078 -190363 -159737 -143741 -118158 -113664 -76605 -83783 -62784 -71996 -67900 -77009 -70021 -69934 -71579 -72015 -75769 -91662 -90250 -59226 -49139 -27576 -31043 -11122 -35005 -24469 -23725 -8046 4309 11284 8677 12534 14097 8446 7534 5075 9589 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